TPSAS-NF1676L-27654-DND
An integrated approach involving observations and models promotes the understanding of atmospheric processes, which helps to mitigate air quality issues.
Gao Chen↗
SEARCH · Engineering Papers
Results for “integrated modeling approach”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Evaluation of private sector roles in space resource development
An integrated engineering and financial modeling approach has been developed and used to evaluate the potential for private sector investment in space resource development, and to assess possible roles of the public sector in fostering private interest. This paper presents the modeling approach and its results for a transportation service using propellant extracted from lunar regolith.
space↗
Integrated National and Regional Agricultural Planning with AgMIP Tools and Methods
AgMIP, through its unique integration of multi-modeling approaches with stakeholder engagement, has advanced co-development of decision support tools and adaptation strategies in the face of climate change and other shocks (especially COVID-19). This has helped generate actionable information for adaptation planning processes in developing countries. Local-to-national stakeholders and decision-makers appreciate the research-informed stakeholder dialogue as very helpful in identifying research and policy gaps. These motivate concise recommendations for productivity-enhancing, environmentally sound technologies, and inclusive development approaches. Furthermore, these stakeholder dialogues help bridge the gaps between policy, research, and adaptation strategies, especially for low-input smallholder farming systems.
Agricultural Model Intercomparison and Improvement↗
Computationally Guided Design of Polymer-Coated Microparticles as Reusable Materials
Long-duration space exploration missions and sustained lunar or Martian surface operations present greater demands for multifunctional and reusable materials. By scaling down the amount of material to be launched from Earth, both mission cost and risk can be reduced. In this regard, leveraging in-space manufacturing capabilities with reusable feedstock materials is an attractive option, as it will allow for articles to be generated on demand, utilized, and then recycled for additional use. NASA’s Enabling Sustained Presence Using Recyclables (ESPUR) project aims to develop reusable materials using polymer-coated microparticles that are bonded via reversible Diels-Alder reactions, where only modest heat is needed to trigger the reverse reaction and enable reuse. For proof-of-concept demonstration, research is currently focused on the fabrication of epoxy microparticles that contain a copoly(carbonate urethane) coating with maleimide and furan functionalities. Here, we discuss the integration of computational materials modeling approaches to help navigate the large design space in this development effort. We perform molecular dynamics (MD) simulations with atomistic and coarse-grained models of the copolymer, which allow us to evaluate the effects of design parameters like the molecular weight and composition on the molecular interactions and chain dynamics. We show how the properties change with the reversible bonds. We also leverage discrete element method (DEM) simulations to assess how microparticle design parameters like the size ratio and volume fraction can be tuned to increase the packing density and number of microparticle contacts to improve the mechanical properties. Our results demonstrate how computational tools can be used in close collaboration with experimental efforts to accelerate material design.
reusable materials↗
Assessing High Burnup U-19Pu-10Zr Fuel Performance against Historical and Modeled Behavior
Advancing the deployment of sodium-cooled fast reactors (SFRs) requires thorough testing of metallic fuel pins under accident conditions to establish safe operational limits of high burnup fuel. To conduct transient testing, a comprehensive understanding of steady-state fuel behavior obtained through both experimental characterization and accurate predictive capabilities is needed. This study comparatively assesses the steady-state irradiation performance of two high burnup U-19Pu-10Zr fuel pins, DP-36 and DP-40, irradiated under prototypic fast reactor conditions in preparation for planned safety testing at the Transient Reactor Test Facility. Since DP-40 was designated for use in the test and DP-36 serves as its sibling pin, non-destructive, engineering-scale post-irradiation examinations (PIE) were conducted on both pins while destructive examinations were performed exclusively on DP-36. The results were then assessed against historical performance data from similar fuel pins irradiated in the Experimental Breeder Reactor-II. Additionally, the steady-state irradiation of each pin was modeled using the BISON fuel performance code to assess the accuracy of current modeling capabilities in predicting the baseline irradiation behavior. Non-destructive examinations included neutron radiography to measure fuel column elongation, gamma scanning to verify pin integrity and fission product migration, and profilometry to assess dimensional changes. Benchmarking against existing PIE data revealed consistent patterns in axial fuel column growth and cladding diametral strain, though both pins exhibited longer low-density “fluff” structures, which can have implications for core reactivity and source term calculations. Destructive examinations on DP-36 included fission gas release analysis and sectioning for optical microscopy, which showed more complex constituent redistribution patterns than the traditionally accepted 3-ring model. The axial evolution of fractional areas and porosities of each of the redistributed zones were quantified and presented. Modeling comparisons showed agreement in fractional fission gas release but consistently overestimated axial and radial swelling and disagreed with measured axial porosity patterns. These conservative overpredictions suggested that the pins would appear closer to failure or operational limits at the start of transient tests, potentially leading to higher strain accumulation during the transient. While conservative estimates provide safety margins, they can negatively impact fuel economics. A review of the swelling models identified areas for improvement in the gaseous swelling, solid swelling, and fuel hot-pressing models when applied to ternary fuel. The results of this study highlight the critical importance of conducting pre-test characterization on both test and sibling pins to accurately capture steady-state fuel behavior, providing a precise baseline for post-test evaluations and essential inputs for transient modeling of the planned experiments. The analysis also revealed significant data gaps that require further investigation to enhance the understanding and prediction of fuel swelling and pore dynamics. Collecting comprehensive data across different irradiation conditions, burnup levels, and fuel compositions are essential for refining existing models and developing mechanistic models for both binary and ternary metallic fuels, ultimately improving the integration of modeling and experimental approaches in accident testing.
11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
A compendium of human gene functions derived from evolutionary modelling
A comprehensive, computable representation of the functional repertoire of all macromolecules encoded within the human genome is a foundational resource for biology and biomedical research. The Gene Ontology Consortium has been working towards this goal by generating a structured body of information about gene functions, which now includes experimental findings reported in more than 175,000 publications for human genes and genes in experimentally tractable model organisms 1,2 . Here, we describe the results of a large, international effort to integrate all of these findings to create a representation of human gene functions that is as complete and accurate as possible. Specifically, we apply an expert-curated, explicit evolutionary modelling approach to all human protein-coding genes. This approach integrates available experimental information across families of related genes into models that reconstruct the gain and loss of functional characteristics over evolutionary time. The models and the resulting set of 68,667 integrated gene functions cover approximately 82% of human protein-coding genes. The functional repertoire reveals a marked preponderance of molecular regulatory functions, and the models provide insights into the evolutionary origins of human gene functions. We show that our set of descriptions of functions can improve the widely used genomic technique of Gene Ontology enrichment analysis. The experimental evidence for each functional characteristic is recorded, thereby enabling the scientific community to help review and improve the resource, which we have made publicly available.
59 BASIC BIOLOGICAL SCIENCES↗
AutoCSM
A template system-of-systems modeling approach for automating the development, deployment, and integration of cooling system models (CSMs) for supercomputing facilities within the ExaDigiT framework. AutoCSM is a Python-based framework to assist in CSM developers in accelerating the creation and deployment of system-level thermal-hydraulic CSMs. The intention is for this tool specifically to help standardize digital twin workflows for ExaDigiT. However, this tool can be used independent of ExaDigiT (and even other systems besides CSMs).
Greenwood, MichaelScott [Oak Ridge National Labora↗
A multiscale phase field fracture approach based on the non-affine microsphere model for rubber-like materials
Rubber-like materials have a broad scope of applications due to their unique properties like high stretchability and increased toughness. Hence, computational models for simulating their fracture behavior are paramount for designing them against failures. In this study, the phase field fracture approach is integrated with a multiscale polymer model for predicting the fracture behavior in elastomers. At the microscale, damaged polymer chains are modeled to be made up of a number of elastic chain segments pinned together. Using the phase field approach, the damage in the chains is represented using a continuous variable. Both the bond stretch internal energy and the entropic free energy of the chain are assumed to drive the damage, and the advantages of this assumption are expounded. A framework for utilizing the non-affine microsphere model for damaged systems is proposed here by considering the minimization of a hypothetical undamaged free energy, ultimately connecting the chain stretch to the macroscale deformation gradient. At the macroscale, a thermodynamically consistent formulation is derived in which the total dissipation is assumed to be mainly due to the rupture of molecular bonds. Using a monolithic scheme, the proposed model is numerically implemented and the resulting three-dimensional simulation predictions are compared with existing experimental data. The capability of the model to qualitatively predict the propagation of complex crack paths and quantitatively estimate the overall fracture behavior is verified. Additionally, the effect of the length scale parameter on the predicted fracture behavior is studied for an inhomogeneous system.
97 MATHEMATICS AND COMPUTING↗
Computer simulations of postural change, water immersion and bedrest - An integrative approach for understanding the spaceflight response
Mathematical modeling techniques were used to simulate the fluid electrolyte (F-E) responses during gravity unloading. It is shown that the response to weightlessness can best be understood by separately examining the acute (hours to days) and chronic (days to weeks) phases, and assuming the presence of normal, although complex, feedback regulatory processes. Headward shifts of fluid are shown to be primarily responsible for acute body losses of extracellular F-E. Losses of body water are closely related to the volume of fluid shifts from the legs. A diuresis is predicted within the first several hours of hypogravity, and this may be obscured by a reduced F-E intake; on Skylab, early F-E losses occurred primarily by deficit intake.
Leonard, J. I.↗
An integrated computational materials engineering framework to analyze the failure behaviors of carbon fiber reinforced polymer composites for lightweight vehicle applications
A bottom-up multi-scale modeling approach is used to develop an Integrated Computational Materials Engineering (ICME) framework for carbon fiber reinforced polymer (CFRP) composites, which has the potential to reduce development to deployment lead time for structural applications in lightweight vehicles. In this work, we develop and integrate computational models comprising of four size scales to fully describe and characterize three types of CFRP composites. In detail, the properties of the interphase region are determined by an analytical gradient model and molecular dynamics analysis at the nano-scale, which is then incorporated into micro-scale unidirectional (UD) representative volume element (RVE) models to characterize the failure strengths and envelopes of UD CFRP composites. Then, the results are leveraged to propose an elasto-plastic-damage constitutive law for UD composites to study the fiber tows of woven composites as well as the chips of sheet molding compound (SMC) composites. Subsequently, the failure mechanisms and failure strengths of woven and SMC composites are predicted by the meso-scale RVE models. Finally, building upon the models and results from lower scales, we show that a homogenized macro-scale model can capture the mechanical performance of a hat-section-shaped part under four-point bending. Along with the model integration, we will also demonstrate that the computational results are in good agreement with experiments conducted at different scales. The present work illustrates the potential and significance of integrated multi-scale computational modeling tools that can virtually evaluate the performance of CFRP composites and provide design guidance for CFRP composites used in structural applications.
36 MATERIALS SCIENCE↗
Dissipative rendering and neural network control system design
Model-based control system designs are limited by the accuracy of the models of the plant, plant uncertainty, and exogenous signals. Although better models can be obtained with system identification, the models and control designs still have limitations. One approach to reduce the dependency on particular models is to design a set of compensators that will guarantee robust stability to a set of plants. Optimization over the compensator parameters can then be used to get the desired performance. Conservativeness of this approach can be reduced by integrating fundamental properties of the plant models. This is the approach of dissipative control design. Dissipative control designs are based on several variations of the Passivity Theorem, which have been proven for nonlinear/linear and continuous-time/discrete-time systems. These theorems depend not on a specific model of a plant, but on its general dissipative properties. Dissipative control design has found wide applicability in flexible space structures and robotic systems that can be configured to be dissipative. Currently, there is ongoing research to improve the performance of dissipative control designs. For aircraft systems that are not dissipative active control may be used to make them dissipative and then a dissipative control design technique can be used. It is also possible that rendering a system dissipative and dissipative control design may be combined into one step. Furthermore, the transformation of a non-dissipative system to dissipative can be done robustly. One sequential design procedure for finite dimensional linear time-invariant systems has been developed. For nonlinear plants that cannot be controlled adequately with a single linear controller, model-based techniques have additional problems. Nonlinear system identification is still a research topic. Lacking analytical models for model-based design, artificial neural network algorithms have recently received considerable attention. Using their universal approximation property, neural networks have been introduced into nonlinear control designs in several ways. Unfortunately, little work has appeared that analyzes neural network control systems and establishes margins for stability and performance. One approach for this analysis is to set up neural network control systems in the framework presented above. For example, one neural network could be used to render a system to be dissipative, a second strictly dissipative neural network controller could be used to guarantee robust stability.
Gonzalez, Oscar R.↗
A Conceptual Framework to Integrate Biodiversity, Ecosystem Function, and Ecosystem Service Models
Global biodiversity and ecosystem service models typically operate independently. Ecosystem service projections may therefore be overly optimistic because they do not always account for the role of biodiversity in maintaining ecological functions. We review models used in recent global model intercomparison projects and develop a novel model integration framework to more fully account for the role of biodiversity in ecosystem function, a key gap for linking biodiversity changes to ecosystem services. We propose two integration pathways. The first uses empirical data on biodiversity–ecosystem function relationships to bridge biodiversity and ecosystem function models and could currently be implemented globally for systems and taxa with sufficient data. We also propose a trait-based approach involving greater incorporation of biodiversity into ecosystem function models. Pursuing both approaches will provide greater insight into biodiversity and ecosystem services projections. Integrating biodiversity, ecosystem function, and ecosystem service modeling will enhance policy development to meet global sustainability goals.
biodiversity models↗
Probabilistic feasibility assessment of sequestration reliance for climate targets
Countries worldwide are transforming their energy systems to achieve Carbon-Neutrality. Investing in renewable resources-based technologies and implementing Carbon Capture and Storage (CCS) are common strategies to achieve higher sequestration levels. Negative emissions through Bioenergy with CCS are expected to play an essential role in the transition to full decarbonization. On top of that, biomass is a limited resource that depends on environmental factors, which create uncertainties related to the amount that can be sustainably provided to the energy system. Here this study emphasizes the relevance of variability in carbon sequestration for achieving climate targets by 2050. Here this paper proposes a probabilistic approach that integrates the Global Change Analysis Model for Latin America (GCAM-LA) with a chance constraint approach. GCAM-LA is used to assess the impact on the energy sector of different limits of sustainable biomass and carbon budget scenarios. The risk associated with exceeding the sequestration capacity of a given region is modeled via Chance Constraint. Results show that electrification is an appropriate long-term decarbonization strategy. It smoothes the effects of uncertainty in sequestration capacity and responds to end-user demands. For this case study, higher levels of electrification are obtained at likelihood levels >66% for end-use sectors.
54 ENVIRONMENTAL SCIENCES↗
The multiple nesting of mesoscale, submesoscale, and nonhydrostatic microscale numerical models for a case of mesocyclogenesis and severe storm development
A fundamental approach involving the integration of two different numerical models over several different spatial mesh lengths is considered. Model I is a hydrostatic, incompressible, and adiabatic primitive (Newtonian) equation set with no boundary layer forcing, i.e., surface heat or moisture flux or external frictional stresses. Typically this model is initialized from conventional radiosonde data and run for a 12-15 hour forecast period over a 40 km horizontal mesh. If phase I of the tornado developmental processes develops, the data is 'frozen' in space and time, interpolated to a 20 km mesh, and integrated for a shorter time period (3 hours) with a shorter time step. Model II is a nonhydrostatic compressible 18-level complement of model I. If model II indicates the development of the intensification of phase V dynamical processes, the data is frozen and interpolated to finer mesh lengths until the tornadic circulation system is approximated
Kaplan, M. L.↗
Integrating adaptive learning with post hoc model explanation and symbolic regression to build interpretable surrogate models
Abstract We develop a materials informatics workflow to build an interpretable surrogate model for micromagnetic simulations. Our goal is to predict the energy barrier of a moving isolated skyrmion in rare-earth-free $$\hbox {Mn}_4$$ Mn 4 N. Our approach integrates adaptive learning with post hoc model explanation and symbolic regression methods. We discuss an unexplored acquisition function (information condensing active learning) within the adaptive learning loop and compare it with the known standard deviation function for efficient navigation of the search space. Model-agnostic post hoc explanation techniques then uncover trends learned by the trained model, which we then leverage to constrain the expressions used for symbolic regression. Graphical abstract
Biswas, Ankita↗
Demonstration of Grid Services Using Mixed Grid-Forming and Grid-Following Technologies at the Wheatridge Renewable Energy Facility (Final Technical Report)
This Final Technical Report summarizes the analytical, modeling, and engineering work performed to evaluate grid-forming (GFM) inverter capabilities within a large hybrid renewable energy facility. The project focused on assessing the ability of advanced inverter-based resources to provide essential reliability services through coordinated operation of grid-forming (GFM) and grid-following (GFL) technologies. During Budget Period 1, the project developed a comprehensive framework of GFM performance metrics, including angle support, voltage regulation, frequency response, damping behavior, and current-limiting performance. Extensive electromagnetic transient (EMT) studies and hardware-in-the-loop (HIL) testing were conducted to validate GFM behavior under a range of operating conditions, including weak-grid scenarios, voltage disturbances, and multi-resource interactions. The project also established validated modeling approaches, plant-level control integration strategies, commissioning frameworks, and high-speed measurement infrastructure to support future field demonstration. Although the project concluded prior to field demonstration, the results provide a utility-scale foundation for evaluating, modeling, and deploying grid-forming technologies. The methodologies and tools developed contribute to industry understanding of inverter-based resource behavior and support future power system reliability under increasing renewable penetration.
14 SOLAR ENERGY↗
Two-Point Turbulence Closure Applied to Variable Resolution Modeling
Variable resolution methods have become frontline CFD tools, but in order to take full advantage of this promising new technology, more formal theoretical development is desirable. Two general classes of variable resolution methods can be identified: hybrid or zonal methods in which RANS and LES models are solved in different flow regions, and bridging or seamless models which interpolate smoothly between RANS and LES. This paper considers the formulation of bridging methods using methods of two-point closure theory. The fundamental problem is to derive a subgrid two-equation model. We compare and reconcile two different approaches to this goal: the Partially Integrated Transport Model, and the Partially Averaged Navier-Stokes method.
Girimaji, Sharath S.↗
Model predictive control of KSTAR equilibrium parameters enabled by TRANSP
Due to the complex behavior of tokamak plasmas and the importance of optimizing performance while avoiding instabilities and machine limits, plasma control algorithms are becoming increasingly dependent on sophisticated model-based control approaches. It is anticipated that the use of integrated modeling codes in the model-based control design process will reduce the amount of experimental time needed to implement new control algorithms by facilitating development of control-oriented models and enabling higher-fidelity closed-loop simulations. In this work, a reduced model is developed from a series of TRANSP simulations and is used to develop a model predictive control (MPC) algorithm for controlling important equilibrium parameters in KSTAR [1] discharges. The control algorithm uses the KSTAR neutral beam injection system and the target plasma current and plasma boundary as actuators, and optimizes the plasma stored energy, loop voltage, and internal inductance while avoiding constraints that could lead to disruptions. Higher fidelity testing of the control algorithm is performed using a flexible framework for enabling external processes to actively control plasma parameters in TRANSP simulations. Furthermore, closed-loop simulations demonstrate the ability of the control algorithm to respond to disturbances in density and confinement, handle actuator failures, and move the discharge to high non-inductive fraction conditions.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗